Correction:Connectivity dependence of Fano resonances in single molecules(Physical Chemistry Chemical Physics (2017) 19 (6416–6421)

Ismael, Ali K. and Grace, Iain and Lambert, Colin J. (2018) Correction:Connectivity dependence of Fano resonances in single molecules(Physical Chemistry Chemical Physics (2017) 19 (6416–6421). Physical Chemistry Chemical Physics, 20 (25). ISSN 1463-9076

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Abstract

The lines in Fig. 8 are incorrectly labeled. The caption for Fig. 8 should read: "Fig. 8. DFT transmission curves. (a) The black curve shows the transmission coefficient for molecule b of Fig. 3. (b) The blue dashed curve shows the transmission coefficient for molecule a of Fig. 3.’’ Therefore, the first two paragraphs of Section III should read: "So far the discussion has focused on tight-binding representations of the molecules shown in Fig. 7. For molecules (a and b) containing two carbonyl groups, Fig. 8 shows DFT results for the transmission coefficients (see Methods for more details). In common with the tight binding results of Fig. 4, both a and b show alternating destructive interference features. In the case of a, such a feature occurs between the LUMO and LUMO+1, whereas in the case of b, they occur between the HOMO and LUMO and between LUMO+2 and LUMO+3. On the other hand for both molecules, destructive interference features appear near E = -2.4 eV, which are almost independent of connectivity, signaling the presence of a Fano resonance.’’ The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

Item Type:
Journal Article
Journal or Publication Title:
Physical Chemistry Chemical Physics
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600/1606
Subjects:
ID Code:
137675
Deposited By:
Deposited On:
09 Oct 2019 09:25
Refereed?:
Yes
Published?:
Published
Last Modified:
29 Apr 2020 08:45